2-[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-3-(4-fluorophenyl)imidazole-4-carboxylate

Systemtic Name: 2-[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-3-(4-fluorophenyl)imidazole-4-carboxylate Openeye Name: 2-[2-(1-adamantylmethylamino)-2-oxo-ethyl]sulfanyl-3-(4-fluorophenyl)imidazole-4-carboxylate CAS Name: 2-[[2-(1-adamantylmethylamino)-2-oxoethyl]thio]-3-(4-fluorophenyl)-4-imidazolecarboxylate IUPAC Name: 2-[2-(1-adamantylmethylamino)-2-oxoethyl]sulfanyl-3-(4-fluorophenyl)imidazole-4-carboxylate Traditional Name: 2-[[2-(1-adamantylmethylamino)-2-keto-ethyl]thio]-3-(4-fluorophenyl)imidazole-4-carboxylate Formula: C23H25FN3O3S- MolecularWeight: 442.526303

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)CSC4=NC=C(N4C5=CC=C(C=C5)F)C(=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)CSC4=NC=C(N4C5=CC=C(C=C5)F)C(=O)[O-]

InChI

InChI=1S/C23H26FN3O3S/c24-17-1-3-18(4-2-17)27-19(21(29)30)11-25-22(27)31-12-20(28)26-13-23-8-14-5-15(9-23)7-16(6-14)10-23/h1-4,11,14-16H,5-10,12-13H2,(H,26,28)(H,29,30)/p-1